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Tuning of the Cross-Glaser Products mediated by Substrate-Catalyst’s Polymeric Backbone Interactions

Abstract

Obtaining the hetero-selective product is the most challenging task in cross-Glaser reactions. So far this has been achieved mainly through the inherent reactivity of the substrates guided by metal catalyst. Here we report a novel catalyst based on copper-oxide (CuI/IIO) nanoparticles with varying cellulose-polymeric backbone. The designed catalyst not only provides high hetero-selectivity but also allows tuning the homo/hetero products by modifying the catalyst cellulose-polymeric backbone either through chemical modification and/or by tweaking the catalyst-reactant interactions. The atomistic details of the hetero-selectivity is explored based on the ab initio Born-Oppenheimer molecular dynamics simulations.

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Supplementary files

Article information


Submitted
09 Nov 2019
Accepted
23 Dec 2019
First published
23 Dec 2019

Chem. Commun., 2020, Accepted Manuscript
Article type
Communication

Tuning of the Cross-Glaser Products mediated by Substrate-Catalyst’s Polymeric Backbone Interactions

S. K. Chhabra, A. Mukhopadhyaya, A. Selim, V. Gowri, K. M. Neethu, A. H. Dar, S. Sartaliya, Md. E. Ali and G. Jayamurugan, Chem. Commun., 2020, Accepted Manuscript , DOI: 10.1039/C9CC08565C

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